ethyl (E,4S)-4-[[(2R)-2-benzyl-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[[(2R)-2-[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]ethyl]pent-4-ynoyl]amino]pent-2-enoate;(2R)-2-[(4-fluorophenyl)methyl]-N-[(1E,2S)-1-(2-methylideneoxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(5-naphthalen-1-yl-1H-pyrrol-2-yl)-4-oxobutanamide;2-[(4-fluorophenyl)methyl]-N-[(1E,2S)-1-(2-methylideneoxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-oxo-4-(1H-pyrrol-2-yl)butanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ethyl (E,4S)-4-[[(2R)-2-benzyl-4-oxo-4-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[[(2R)-2-[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]ethyl]pent-4-ynoyl]amino]pent-2-enoate;(2R)-2-[(4-fluorophenyl)methyl]-N-[(1E,2S)-1-(2-methylideneoxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(5-naphthalen-1-yl-1H-pyrrol-2-yl)-4-oxobutanamide;2-[(4-fluorophenyl)methyl]-N-[(1E,2S)-1-(2-methylideneoxolan-3-ylidene)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-oxo-4-(1H-pyrrol-2-yl)butanamide
• 化学式: C126H130F8N12O18
• 分子量: 2252.4
• InChiKey: VRHZIGRFLARFPC-SFFQUFTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.04
• 重原子数：
  164
• 可旋转键数：
  48
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  435
• 氢给体数：
  12
• 氢受体数：
  26